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IDOpen DateLast UpdateSummaryOwnerReporterTypeMileStoneComponentPrioritySeverityStatusResolution
286992012-06-12 10:072012-06-12 11:22Speed up Mndo::RotateTwoElecTwoCoreDiatomicFirstDerivativesToSpaceFramegcmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)77ClosedFixed
278312012-03-14 19:492012-06-08 19:21Speed up Mndo::RotateTwoElecTwoCoreDiatomicToSpaceFramegcmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)77ClosedNone
317162013-07-13 22:442013-07-18 15:24Serialization/Deserialization of MolDSExceptionktnsktnsPatchesver0.3.0 (closed)66ClosedFixed
308292013-02-22 14:272013-03-29 14:33Speed up of calculating the forcemikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)66ClosedFixed
306702013-02-03 16:092013-02-03 16:12Refactoring calculation (transition) dipole momentmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)66ClosedDuplicate
300832012-11-13 12:262012-11-14 17:52Avoid overflow of "int" in the "MallocerFrrer"mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)66ClosedFixed
350812015-04-24 00:292015-04-24 00:58negative value for hole-plotmikiya_fujiimikiya_fujiiPatchesver0.4.05 - Medium5 - MediumClosedFixed
328812014-01-10 16:592014-07-21 13:03Refactor Optimizer classes using OptimizerStatektnsktnsPatchesver0.4.05 - Medium5 - MediumClosedFixed
328692014-01-08 17:432014-01-08 18:33Swap timings of Damping and DIISktnsktnsPatches5 - Medium5 - MediumClosedFixed
326762013-12-25 14:302013-12-25 17:41make a tag 0.3.1mikiya_fujiimikiya_fujiiPatchesver0.3.1 (closed)5 - Medium5 - MediumClosedFixed
326552013-12-23 09:132013-12-25 17:19Add "Max Heap:" to ignore list for testsuitemikiya_fujiimbanckPatchesver0.3.1 (closed)5 - Medium5 - MediumClosedFixed
326422013-12-20 17:202013-12-20 17:34Rearrangement of Makefilesmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
323192013-10-23 10:012013-12-20 18:56Sulphur parameters in ZINDO/Smikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
317302013-07-18 16:092013-12-19 10:45Chain MolDSExceptionsktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
317122013-07-12 13:102013-07-12 17:43Add key value pairs to MolDSExceptionktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedNone
306542013-02-01 11:312013-02-03 13:46Refactoring of ZIDNO/S to speed upmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
306212013-01-29 14:262013-08-29 16:35Inline expand for small methodsmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
306182013-01-29 11:542013-01-29 14:26Cache totalNumberAOs in each method to speed upmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedWon't Fix
306172013-01-29 06:422013-06-19 20:29Refactoring how to calculate dipole momentsmikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedNone
303312012-12-18 23:322013-02-22 14:29Check size of BLAS/LAPACK intktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
303302012-12-18 20:252012-12-23 07:38autoconf: Search ILP 64 version of MKLktnsktnsPatches5 - Medium5 - MediumClosedFixed
302672012-12-06 22:462012-12-23 07:57Detect size of blas_int/lapack_int in configurektnsktnsPatches5 - Medium5 - MediumClosedDuplicate
302182012-11-29 18:332013-02-22 14:31Make make depend' needless ktnsktnsPatchesver0.3.0 (closed)5 - Medium5 - MediumClosedFixed
302072012-11-28 13:402012-11-28 14:05Versions of OpneBLAS and Boost should not been assigned in Makefilemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
287972012-06-19 19:292012-06-19 20:17Shebang for test scriptktnsktnsPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
287962012-06-19 19:202012-07-15 12:01Continuous allocation for 3 or higher dimensional arrayktnsktnsPatches5 - Medium5 - MediumClosedFixed
287952012-06-19 19:172012-06-29 21:17Continuous allocation for 2 dimensional arrayktnsktnsPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
287852012-06-19 17:522012-06-20 01:37-lboost_random is not needed.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
287752012-06-18 18:572012-07-07 22:47Refactor Optimizer::LineSearchktnsktnsPatches5 - Medium5 - MediumClosedFixed
278512012-03-16 23:152012-03-16 23:20Make test output be simplemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
278482012-03-16 21:252012-03-17 03:00mkl_wrapper::LapackWrapper.* is renamed mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
278292012-03-14 19:452012-03-17 02:19change how to include "mkl.h" mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
274752012-02-10 10:252012-02-12 01:14Change specification optimize::SteepestDescent.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
274742012-02-10 10:122012-02-10 11:02Create Factory-namespacemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
273112012-01-30 12:292012-10-10 10:51Same center problem for AO overlapmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedWon't Fix
272762012-01-29 00:212012-01-29 00:22Change the specification of checking MDmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedDuplicate
272752012-01-29 00:202012-01-29 00:23Change the specification of checking MC condition.mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedDuplicate
271732012-01-19 16:162012-01-29 03:00Error for excited state MC with CNDO2 or INDOmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
271722012-01-19 16:152012-01-29 02:59Error for Excited Dynamics with Zindo/Smikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
271202012-01-13 09:422012-01-13 21:15ElectronicFactory classmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedNone
271192012-01-13 09:412012-01-13 21:17SimulationType Enummikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270752012-01-07 19:202012-01-10 14:49copy functions of molecule-classmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270592012-01-05 23:352012-01-06 00:25NULL check in Malloc and Freemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
270562012-01-05 13:452012-01-10 15:24update test-resultmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)5 - Medium5 - MediumClosedFixed
340502014-07-16 11:362014-07-16 13:46output format of molecular which user wanna calculates and MPI-conditions are modified.mikiya_fujiimikiya_fujiiPatchesver0.4.043ClosedFixed
323812013-11-01 15:112013-11-01 19:15schedule(auto) is not used for INTEL13.1.1mikiya_fujiimikiya_fujiiPatches43ClosedFixed
306882013-02-06 20:102013-02-12 05:11Calculate total energy in each SCF iterationktnsPatches44ClosedWon't Fix
305662013-01-23 15:472013-02-22 14:39Use cblas routines only in BLAS wrapperktnsktnsPatchesver0.3.0 (closed)44ClosedNone
305602013-01-22 15:562013-02-22 14:41Use dsyrk in CalcOrbitalElectronPopulationktnsktnsPatchesver0.3.0 (closed)45 - MediumClosedFixed
304092012-12-29 13:282013-02-22 14:38Integrate Blas/Lapack_GNU.cppktnsktnsPatchesver0.3.0 (closed)44ClosedFixed
297992012-10-09 22:452012-10-12 16:16Merge BLAS wrapper into automake branchktnsktnsPatches44ClosedFixed
297232012-10-02 22:212013-07-24 18:42const GetForcemikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)45 - MediumClosedFixed
278322012-03-14 19:512013-01-30 00:03NULL check is carried in debug-build.mikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)44ClosedFixed
328402014-01-06 09:152014-01-06 09:50copy right for 2014mikiya_fujiimikiya_fujiiPatchesver0.4.033ClosedFixed
323802013-11-01 15:052013-11-01 16:23Name of the executable is changed to "molds"mikiya_fujiimikiya_fujiiPatchesver0.3.0 (closed)33ClosedFixed
319192013-08-24 10:452013-08-27 18:40Refactor Cndo2::DoDIIS using BLASmikiya_fujiiktnsPatchesver0.3.0 (closed)33ClosedFixed
318542013-08-08 15:262013-08-24 10:51GEDIIS optimizerktnsktnsPatchesver0.3.0 (closed)33ClosedFixed
314912013-06-03 11:262013-12-19 10:46Print backtrace of the exceptionktnsktnsPatchesver0.3.0 (closed)33ClosedFixed
305572013-01-22 03:452013-04-01 11:21Use boost::math::factorialktnsktnsPatchesver0.3.0 (closed)34ClosedFixed
300442012-11-07 23:352012-11-26 21:23Overloaded constructor of MolDSException for boost::formatktnsktnsPatches33ClosedFixed
297552012-10-06 00:312012-10-06 00:34rename InputParser::AddInputTermsFromStdRedirect & AddInputTermsFromFileokymmoldsokymmoldsPatchesver0.2 (closed)33ClosedFixed
288992012-07-02 15:052012-07-11 16:27indent of "#pragma"ktnsmikiya_fujiiPatches33ClosedFixed
287032012-06-12 20:172012-06-22 15:18Use std::endl in PrintController::OutputLogktnsktnsPatches33ClosedFixed
286442012-06-05 21:382012-06-05 23:50Refactoring of Makefilemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
271102012-01-12 13:502012-01-12 16:17Rename DoesHogeHoge() to DoHogeHoge()mikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
270572012-01-05 13:472012-01-06 03:53Refactoring of welcome and fairwel messagemikiya_fujiimikiya_fujiiPatchesver0.2 (closed)33ClosedFixed
327502013-12-30 01:312013-12-30 02:36Use Atom::GetCoreMass than Atom::GetAtomicMass if possiblemikiya_fujiimikiya_fujiiPatchesver0.4.021 - LowestClosedFixed
326772013-12-25 19:582013-12-25 21:12Rename electronic shellmikiya_fujiimikiya_fujiiPatchesver0.4.021 - LowestClosedFixed
302162012-11-29 10:472012-11-29 10:49Delete trunk/benchmarkmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)22ClosedFixed
289242012-07-06 09:372012-07-06 09:49Refactoring MD::DoMD() for DRY-principlemikiya_fujiimikiya_fujiiPatches22ClosedFixed
287732012-06-18 11:282012-06-18 15:43"explicit" should be added to single argument constructorsmikiya_fujiimikiya_fujiiPatchesver0.2 (closed)22ClosedFixed
328522014-01-07 09:552014-01-07 09:56Maintenance of src/tools/paramYZmikiya_fujiimikiya_fujiiPatchesver0.4.01 - Lowest1 - LowestClosedFixed